methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate

C14H16N2O2S — CID 115423276

IUPACmethyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1cccc(Nc2nc(C(=O)OC)c(C)s2)c1
InChIInChI=1S/C14H16N2O2S/c1-4-10-6-5-7-11(8-10)15-14-16-12(9(2)19-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyUTHXRXYIOACJQU-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.54
Rot. Bonds4

About methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115423276) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115423276
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Namemethyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCc1cccc(Nc2nc(C(=O)OC)c(C)s2)c1
InChIInChI=1S/C14H16N2O2S/c1-4-10-6-5-7-11(8-10)15-14-16-12(9(2)19-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyUTHXRXYIOACJQU-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
methyl 2-(4-bromo-3-iodoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 114261659
methyl 2-[(6-ethoxy-3-pyridinyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424867
methyl 5-methyl-2-(4-methylsulfanylanilino)-1,3-thiazole-4-carboxylate
CID 115423111
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
methyl 2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424812
methyl 5-methyl-2-(2-propylanilino)-1,3-thiazole-4-carboxylate
CID 115424026
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
methyl 2-(2,6-dibromo-4-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422975
methyl 2-(2-bromoanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423233
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate (CID 115423276) is methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is CCc1cccc(Nc2nc(C(=O)OC)c(C)s2)c1.
What is the InChIKey of methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UTHXRXYIOACJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-10-6-5-7-11(8-10)15-14-16-12(9(2)19-14)13(17)18-3/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).